Thermal and Guest-Assisted Structural Transition in the NH2-MIL-53(Al) Metal Organic Framework: A Molecular Dynamics Simulation Investigation

Thermal and Guest-Assisted Structural Transition in the NH2-MIL-53(Al) Metal Organic Framework: A Molecular Dynamics Simulation Investigation

Reversible structural transition between the Large (LP) and Narrow Pore (NP) forms (breathing phenomena) of the MIL-53(X, X = Al, Cr, Fe, Ga) Metal Organic Framework (MOF) is probably one of the most amazing physical properties of this class of soft-porous materials. Whereas great attention has been...

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Bibliographic Details
Main Authors: Roald Boulé, Claire Roland, Laurent Le Pollés, Nathalie Audebrand, Aziz Ghoufi
Format: Article
Language:English
Published: MDPI AG 2018-07-01
Series:Nanomaterials
Subjects:
NH2-MIL-53(Al)
MOFs
molecular simulation
structural transition
Online Access:http://www.mdpi.com/2079-4991/8/7/531

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